CID 122327

114289-47-3

Structural Information

Molecular Formula
C23H39NO4
SMILES
CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC
InChI
InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
InChIKey
WAFNZAURAWBNDZ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

72
References

262
Patents

393.2879 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.29518 201.3
[M+Na]+ 416.27712 209.6
[M+NH4]+ 411.32172 205.6
[M+K]+ 432.25106 203.4
[M-H]- 392.28062 201.3
[M+Na-2H]- 414.26257 203.1
[M]+ 393.28735 202.3
[M]- 393.28845 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe